2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide

C14H18N2O2 — CID 55129910

IUPAC2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(C#N)C(C)C)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9(2)12(8-15)14(17)16-13-6-5-11(18-4)7-10(13)3/h5-7,9,12H,1-4H3,(H,16,17)
InChIKeyVFXDPKRYHMNPMI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.74
Rot. Bonds4

About 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide

2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide (PubChem CID 55129910) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
PubChem CID55129910
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)C(C#N)C(C)C)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9(2)12(8-15)14(17)16-13-6-5-11(18-4)7-10(13)3/h5-7,9,12H,1-4H3,(H,16,17)
InChIKeyVFXDPKRYHMNPMI-UHFFFAOYSA-N
XLogP2.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115188542
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
2-(N'-hydroxycarbamimidoyl)-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 76951056
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-cyano-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 62881537
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide (CID 55129910) is 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide is COc1ccc(NC(=O)C(C#N)C(C)C)c(C)c1.
What is the InChIKey of 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide?
The InChIKey is VFXDPKRYHMNPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)12(8-15)14(17)16-13-6-5-11(18-4)7-10(13)3/h5-7,9,12H,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide?
2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 55129910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).